sodium 5-(cyclohexen-1-ylsulfanyl)-4,6-bis(oxidanylidene)-1-prop-2-enyl-pyrimidin-2-olate

Systemtic Name: sodium 5-(cyclohexen-1-ylsulfanyl)-4,6-bis(oxidanylidene)-1-prop-2-enyl-pyrimidin-2-olate Openeye Name: sodium 1-allyl-5-(cyclohexen-1-ylsulfanyl)-4,6-dioxo-pyrimidin-2-olate CAS Name: sodium 5-(1-cyclohexenylthio)-4,6-dioxo-1-prop-2-enyl-2-pyrimidinolate IUPAC Name: sodium 5-(cyclohexen-1-ylsulfanyl)-4,6-dioxo-1-prop-2-enylpyrimidin-2-olate Traditional Name: sodium 1-allyl-5-(cyclohexen-1-ylthio)-4,6-diketo-pyrimidin-2-olate Formula: C13H15N2NaO3S MolecularWeight: 302.32457

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C(C(=O)N=C1[O-])SC2=CCCCC2.[Na+]

Isomeric SMILES

C=CCN1C(=O)C(C(=O)N=C1[O-])SC2=CCCCC2.[Na+]

InChI

InChI=1S/C13H16N2O3S.Na/c1-2-8-15-12(17)10(11(16)14-13(15)18)19-9-6-4-3-5-7-9;/h2,6,10H,1,3-5,7-8H2,(H,14,16,18);/q;+1/p-1